| Properties | Image |
|---|
| MNX_ID | MNXM1196620 |
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| reference | envipathM:...e2bd033eccca |
| formula | C24H29N5O6 |
| global charge | 0 |
| mol weight | 483.525 |
| InChIKey | ZXEQCYBGNCCSCW-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H29N5O6/c1-4-7-19(31)23(34)29(24(35,13-30)14(2)3)12-15-10-11-17(21(33)20(15)32)16-8-5-6-9-18(16)22-25-27-28-26-22/h5-6,8-11,13-14,19,31-33,35H,4,7,12H2,1-3H3,(H,25,26,27,28) |
| SMILES | CCCC(O)C(=O)N(CC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C=C1)C(O)(C=O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C24H29N5O6/c1-4-7-19(31)23(34)29(24(35,13-30)14(2)3)12-15-10-11-17(21(33)20(15)32)16-8-5-6-9-18(16)22-25-27-28-26-22/h5-6,8-11,13-14,19,31-33,35H,4,7,12H2,1-3H3,(H,25,26,27,28)/t19?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH:19]([C:23]([N:29]([CH2:12][C:15]1=[C:20]([OH:32])[C:21]([OH:33])=[C:17]([C:16]2=[CH:8][CH:5]=[CH:6][CH:9]=[C:18]2[C:22]2=[N:25][NH:27][N:28]=[N:26]2)[CH:11]=[CH:10]1)[C:24]([CH:13]=[O:30])([CH:14]([CH3:2])[CH3:3])[OH:35])=[O:34])[OH:31] |
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